- InChI
- InChI=1S/C8H17Cl/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
- InChI Key
- SVRDRJZPEYTXKX-UHFFFAOYSA-N
- Formula
- C8H17Cl
- SMILES
- CC(C)CCC(C)(C)Cl
- Molecular Weight1
- 148.67
- CAS
- 29342-44-7
- Other Names
-
- 2-Chloro-2,5-dimethylhexane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3512 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.440 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| Tboil | 416.30 | K | Relay (1.0) Calculated Property |
| Tc | 614.29 | K | Relay (1.0) Calculated Property |
| Tfus | 209.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.82; 442.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.76480e+01 | |||
| Coefficient B | 9.02380e-01 | |||
| Coefficient C | -6.06800e-04 | |||
| Coefficient D | 1.64400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 366.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 409.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 426.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0162102; 0.0002729] | Pa×s | [197.26; 421.83] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17942e+01 | |||
| Coefficient B | 1.51340e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 197.26 | |||
| Temperature range, max. | 421.83 | |||
| η | 0.0162102 | Pa×s | 197.26 | Calculated Property |
| η | 0.0068493 | Pa×s | 222.21 | Calculated Property |
| η | 0.0034439 | Pa×s | 247.16 | Calculated Property |
| η | 0.0019643 | Pa×s | 272.12 | Calculated Property |
| η | 0.0012312 | Pa×s | 297.07 | Calculated Property |
| η | 0.0008296 | Pa×s | 322.02 | Calculated Property |
| η | 0.0005917 | Pa×s | 346.97 | Calculated Property |
| η | 0.0004416 | Pa×s | 371.92 | Calculated Property |
| η | 0.0003419 | Pa×s | 396.88 | Calculated Property |
| η | 0.0002729 | Pa×s | 421.83 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [332.12; 481.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43371e+01 | |||
| Coefficient B | -3.77382e+03 | |||
| Coefficient C | -6.35120e+01 | |||
| Temperature range, min. | 332.12 | |||
| Temperature range, max. | 481.63 | |||
| Pvap | 1.33 | kPa | 332.12 | Calculated Property |
| Pvap | 3.02 | kPa | 348.73 | Calculated Property |
| Pvap | 6.26 | kPa | 365.34 | Calculated Property |
| Pvap | 12.02 | kPa | 381.96 | Calculated Property |
| Pvap | 21.63 | kPa | 398.57 | Calculated Property |
| Pvap | 36.82 | kPa | 415.18 | Calculated Property |
| Pvap | 59.74 | kPa | 431.79 | Calculated Property |
| Pvap | 92.97 | kPa | 448.41 | Calculated Property |
| Pvap | 139.49 | kPa | 465.02 | Calculated Property |
| Pvap | 202.64 | kPa | 481.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2-chloro-2,5-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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